![Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate structure](/static/products/459/459422-36-7.png)
Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate
TL;DR: Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate (CAS 459422-36-7) is a chemical compound with molecular formula C10H11NO8S2 and molecular weight 336.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfonylacetate
Also Known As: BAS 03770693, methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate, AS-871/40931480, methyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfonylacetate, methyl 2-{[4-(methylsulfonyl)-2-nitrophenyl]sulfonyl}acetate
| Molecular Formula | C10H11NO8S2 |
|---|---|
| Molecular Weight | 336.99 g/mol |
| LogP | -0.055 |
| Topological Polar Surface Area | 137.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.9926 |
| Heavy Atoms | 21 |
| Complexity | 794.3466 |
Chemical Identifiers
| CAS Number | 459422-36-7 |
|---|---|
| SMILES | COC(=O)CS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate (CAS 459422-36-7), with molecular formula C10H11NO8S2 and molecular weight 336.99 g/mol. IUPAC: methyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfonylacetate.
Chemical Property Profile of Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate
Property Insights of Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate
The XLogP value of -0.055 indicates that Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate. Following Lipinski's Rule of Five, Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate?
The CAS number of Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate is 459422-36-7.
What is the molecular formula of Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate?
The molecular formula of Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate is C10H11NO8S2.
What is the molecular weight of Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate?
The molecular weight of Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate is 336.99 g/mol.
Where can I buy Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate?
You can request a quote for Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfonyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.